5-bromospiro[1,2-dihydroindene-3,3'-azetidine]

C11H12BrN — CID 84629055

IUPAC5-bromospiro[1,2-dihydroindene-3,3'-azetidine]
SMILESBrc1ccc2c(c1)C1(CC2)CNC1
InChIInChI=1S/C11H12BrN/c12-9-2-1-8-3-4-11(6-13-7-11)10(8)5-9/h1-2,5,13H,3-4,6-7H2
InChIKeyMLLVSZGATDAJCQ-UHFFFAOYSA-N
MW238.13 g/mol
LogP2.24
Rot. Bonds

About 5-bromospiro[1,2-dihydroindene-3,3'-azetidine]

5-bromospiro[1,2-dihydroindene-3,3'-azetidine] (PubChem CID 84629055) has the molecular formula C11H12BrN and a molecular weight of 238.13 g/mol. Its IUPAC name is 5-bromospiro[1,2-dihydroindene-3,3'-azetidine].

Molecular Properties

Compound Name5-bromospiro[1,2-dihydroindene-3,3'-azetidine]
PubChem CID84629055
Molecular FormulaC11H12BrN
Molecular Weight238.13 g/mol
Exact Mass237.02
IUPAC Name5-bromospiro[1,2-dihydroindene-3,3'-azetidine]
SMILESBrc1ccc2c(c1)C1(CC2)CNC1
InChIInChI=1S/C11H12BrN/c12-9-2-1-8-3-4-11(6-13-7-11)10(8)5-9/h1-2,5,13H,3-4,6-7H2
InChIKeyMLLVSZGATDAJCQ-UHFFFAOYSA-N
XLogP2.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.13
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-bromospiro[1,2-dihydroindene-3,4'-piperidine]
CID 83671316
ethane;spiro[1,2-dihydroindene-3,3'-azetidine]
CID 155704532
7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclopropane];hydrochloride
CID 155820090
(4R)-7-bromospiro[2,3-dihydro-1H-naphthalene-4,3'-pyrrolidine]
CID 129384980
7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclobutane]
CID 71304013
7-bromospiro[2,3-dihydro-1H-isoquinoline-4,1'-cyclohexane]
CID 11242950
6-bromospiro[1,2-dihydroindene-3,1'-cyclopropane];ethane
CID 145339117
5-bromospiro[1,2-dihydroindene-3,2'-pyrrolidine]
CID 46942192
5-bromo-3,3-di(propan-2-yl)-1,2-dihydroindene
CID 169145643
6-bromo-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 10537940
6-bromospiro[2,3-dihydrochromene-4,3'-pyrrolidine]
CID 82625302
5-bromospiro[1,2-dihydroindene-3,2'-1,3-thiazolidine]
CID 130501860

Frequently Asked Questions

What is the IUPAC name of 5-bromospiro[1,2-dihydroindene-3,3'-azetidine]?
The IUPAC name of 5-bromospiro[1,2-dihydroindene-3,3'-azetidine] (CID 84629055) is 5-bromospiro[1,2-dihydroindene-3,3'-azetidine].
What is the SMILES notation for 5-bromospiro[1,2-dihydroindene-3,3'-azetidine]?
The canonical SMILES for 5-bromospiro[1,2-dihydroindene-3,3'-azetidine] is Brc1ccc2c(c1)C1(CC2)CNC1.
What is the InChIKey of 5-bromospiro[1,2-dihydroindene-3,3'-azetidine]?
The InChIKey is MLLVSZGATDAJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN/c12-9-2-1-8-3-4-11(6-13-7-11)10(8)5-9/h1-2,5,13H,3-4,6-7H2.
What are the key properties of 5-bromospiro[1,2-dihydroindene-3,3'-azetidine]?
5-bromospiro[1,2-dihydroindene-3,3'-azetidine] has a molecular weight of 238.13 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromospiro[1,2-dihydroindene-3,3'-azetidine] is sourced from PubChem (CID 84629055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).